1-(1-Ethylcyclohex-2-ene-1-sulfonyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(1-Ethylcyclohex-2-ene-1-sulfonyl)-4-methylbenzene
• CAS No.: 89002-91-5
• Molecular Formula: C15H20O2S
• Molecular Weight: 264.389
• DSSTox Substance ID: DTXSID30553493
• Mol file: 89002-91-5.mol

Synonyms:89002-91-5;1-(1-Ethylcyclohex-2-ene-1-sulfonyl)-4-methylbenzene;DTXSID30553493

Chemical Property of 1-(1-Ethylcyclohex-2-ene-1-sulfonyl)-4-methylbenzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 264.11840105
• Heavy Atom Count: 18
• Complexity: 397

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(CCCC=C1)S(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 1-(1-Ethylcyclohex-2-ene-1-sulfonyl)-4-methylbenzene

There total 2 articles about 1-(1-Ethylcyclohex-2-ene-1-sulfonyl)-4-methylbenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-(p-tolylthio)cyclohexene (115125-55-8) → 1-ethylcyclohex-2-enyl p-tolyl sulphone (89002-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.62 g / 30 percent hydrogen peroxide, sodium acetate / acetic acid / 50 °C

2: 1.) THF-ether, -70 deg C, 30 min; 2.) -70 deg C, 135 min

With dihydrogen peroxide; sodium acetate; In acetic acid;

Reference yield:

1-(cyclohex-2-en-1-ylsulfonyl)-4-methylbenzene (37488-68-9) + ethyllithium (811-49-4) → 1-ethylcyclohex-2-enyl p-tolyl sulphone (89002-91-5)

Guidance literature:

Yield given. Multistep reaction; 1.) THF-ether, -70 deg C, 30 min; 2.) -70 deg C, 135 min;

Reference yield: 66.0%

1-ethylcyclohex-2-enyl p-tolyl sulphone (89002-91-5) → 3-ethylcyclohex-2-enyl p-tolyl sulphone (89003-01-0)

Guidance literature:

In water; acetic acid; at 100 ℃; for 8h;

upstream raw materials:

1-(cyclohex-2-en-1-ylsulfonyl)-4-methylbenzene

ethyllithium

3-(p-tolylthio)cyclohexene

Downstream raw materials:

3-ethylcyclohex-2-enyl p-tolyl sulphone